(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethanol

C10H10F2O2 — CID 10899632

IUPAC(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethanol
SMILESC[C@H](O)[C@]1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C10H10F2O2/c1-6(13)10(5-14-10)8-3-2-7(11)4-9(8)12/h2-4,6,13H,5H2,1H3/t6-,10-/m0/s1
InChIKeyHUEOYXUALXBOSZ-WKEGUHRASA-N
MW200.18 g/mol
LogP1.57
Rot. Bonds2

About (1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethanol

(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethanol (PubChem CID 10899632) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is (1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethanol
PubChem CID10899632
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethanol
SMILESC[C@H](O)[C@]1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C10H10F2O2/c1-6(13)10(5-14-10)8-3-2-7(11)4-9(8)12/h2-4,6,13H,5H2,1H3/t6-,10-/m0/s1
InChIKeyHUEOYXUALXBOSZ-WKEGUHRASA-N
XLogP1.57
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethanol?
The IUPAC name of (1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethanol (CID 10899632) is (1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethanol?
The canonical SMILES for (1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethanol is C[C@H](O)[C@]1(c2ccc(F)cc2F)CO1.
What is the InChIKey of (1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethanol?
The InChIKey is HUEOYXUALXBOSZ-WKEGUHRASA-N. The full InChI is InChI=1S/C10H10F2O2/c1-6(13)10(5-14-10)8-3-2-7(11)4-9(8)12/h2-4,6,13H,5H2,1H3/t6-,10-/m0/s1.
What are the key properties of (1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethanol?
(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethanol has a molecular weight of 200.18 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethanol is sourced from PubChem (CID 10899632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).